Pimpernel Science, Software and Information Technoglogy &
Honorary Professor of Physics,
University of Edinburgh, Uk
2015: "Signature properties of water: Their molecular electronic origins", PNAS, 112 6341
2013: "Nanoscale imaging reveals laterally expanding antimicrobial pores in lipid bilayers", PNAS, 110, 8918.
2013: "Crown graphene nanomeshes: highly stable chelation-doped semiconducting materials", J. Chem. Theory and Comp. 9, 2398.
2013: "Electronically course grained model of water", Phys. Rev. Lett. 110, 227801.
2012: "High response piezoelectric and piezoresistive materials for fast, low voltage switching: simulation and theory of transduction physics at the nanometer scale", Adv. Mat. 24, 3672.
2011: "The role of chemistry in graphene doping for carbon-based electronics", ACS nano 5, 3096.
2009: "Ab initio theory of the pseudogap in cuprate superconductors driven by C4 symmetry breaking",
Phys. Rev. B 83, 144503.
2008: "Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer",
IBM J. Res. Dev. 52 (1/2), 159.
2004: "Long time molecular dynamics for enhanced conformational sampling in biomolecular systems",
Phys. Rev. Lett. 93, 150201
2000: "Amplitudes and frequencies of protein dynamics: analysis of discrepancies between neutron scattering and molecular dynamics simulations",
JACS 122, 10450.
1999: "Computer Simulation Studies of Finite Temperature Conformational Equilibrium in Alanine-Based Peptides", J. Phys. Chem. B, 103, 1752.
1996:"Explicit reversible integrators for extended systems dynamics", Mol. Phys. 87, 1117.
1994:"Constant pressure molecular dynamics algorithms", J. Chem. Phys. 101 4177.
1993: "Electronic states in metal-ammonia solutions",
Phys. Rev. Lett. 71, 267.
2017: “Nano-fluidic field effective device to control DNA transport
through the same”, 9,651,518
2016: “Piezoelectronic switch for RF applications”, 9,472,368
2014: "Method of forming graphene nanomesh"; 8,834,96.
2012: "Coupling piezoelectric material generated stresses to
devices formed in integrated circuits"; 8,247,947.
2012: "Piezo-effect transistor device and applications"; 8,159,854.
2010: "Piezo-driven non-volatile memory cell with hysteretic resistance";
7,848,135.
Key US Patents (38 total)
- Sir Isaac Newton after Bernard of Chartes
“If we have seen further, it is by standing on the shoulders of giants"
Key Publications* (~17k citations total)
Key Recent Publications*
2017: “High-response piezoelectricity modeled quantitatively near a phase boundary”, Appl. Phys. Letts. 110, 022904
2017: “Engineering monolayer poration for rapid exfoliation of microbial membranes”, Chemical Science 8, 1105-1115
2016: “A graphene–carbon nanotube hybrid material for photovoltaic applications”, Carbon 102, 74-80
2016: “Openatom: Scalable ab-initio molecular dynamics with diverse capabilities”, Inter. Conf. High Perf. Comp., 139-158.
2015: "Phase Diagram of Cuprate High-Temperature Superconductors Described by a Field Theory Based on Anharmonic Oxygen Degrees of Freedom", Phys. Rev. Lett. 114, 107001.
2015: "Signature properties of water: Their molecular
electronic origins", PNAS 112, 6341.
2015: "Pathway to the PiezoElectronic Transduction Logic Device", NanoLett. 15, 2391.
2015: "The piezoelectronic stress transduction switch for very large-scale integration, low voltage sensor computation, and radio frequency applications", Appl. Phys. Lett. 107, 073505.
2014: "Optimal Thickness for Charge Transfer in Multilayer Graphene Electrodes", Phys. Rev. Appl. 1 , 014005.
2014: "The PiezoElectronic Switch: A Path to High Speed, Low Energy Electronics." In Advances in Science and Technology, 90, 93.